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MLS001206947,ZINC00917324,BAS 03587006,SMR000518739,ST5165555,3,5-Dime

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摘 要:MLS001206947,ZINC00917324,BAS 03587006,SMR000518739,ST5165555,3,5-Dimethoxy-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide, 3,5-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzamide,Canonical SMILES: COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOC
[Synonyms]
MLS001206947
ZINC00917324
BAS 03587006
SMR000518739
ST5165555
3,5-Dimethoxy-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide

[Structure]
MLS001206947,ZINC00917324,BAS 03587006,SMR000518739,ST5165555,3,5-Dime

[ Properties Computed from Structure]
Molecular Weight406.45278 [g/mol]
Molecular FormulaC19H22N2O6S
XLogP1.5
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count2
Exact Mass406.119857
MonoIsotopic Mass406.119857
Topological Polar Surface Area94.2
Heavy Atom Count28
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,5-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
Canonical SMILES: COC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC
InChI: InChI=1/C19H22N2O6S/c1-25-16-11-14(12-17(13-16)26-2)19(22)20-15-3-5-18
(6-4-15)28(23,24)21-7-9-27-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,
22)/f/h20H

 
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